(4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone

C33H21FN6O3 — CID 58263825

IUPAC(4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2ccc3c(OCc4nnc5ccc(-c6ccccc6)nn45)ccnc3c2)cc1)c1cnccc1F
InChIInChI=1S/C33H21FN6O3/c34-27-14-16-35-19-26(27)33(41)22-6-8-23(9-7-22)43-24-10-11-25-29(18-24)36-17-15-30(25)42-20-32-38-37-31-13-12-28(39-40(31)32)21-4-2-1-3-5-21/h1-19H,20H2
InChIKeyFCDWGPNLYCJKLK-UHFFFAOYSA-N
MW568.57 g/mol
LogP6.48
Rot. Bonds8

About (4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone

(4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone (PubChem CID 58263825) has the molecular formula C33H21FN6O3 and a molecular weight of 568.57 g/mol. Its IUPAC name is (4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone
PubChem CID58263825
Molecular FormulaC33H21FN6O3
Molecular Weight568.57 g/mol
Exact Mass568.17
IUPAC Name(4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(Oc2ccc3c(OCc4nnc5ccc(-c6ccccc6)nn45)ccnc3c2)cc1)c1cnccc1F
InChIInChI=1S/C33H21FN6O3/c34-27-14-16-35-19-26(27)33(41)22-6-8-23(9-7-22)43-24-10-11-25-29(18-24)36-17-15-30(25)42-20-32-38-37-31-13-12-28(39-40(31)32)21-4-2-1-3-5-21/h1-19H,20H2
InChIKeyFCDWGPNLYCJKLK-UHFFFAOYSA-N
XLogP6.48
TPSA104.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.57
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone with MolForge

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Related Compounds

7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 24864821
7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 25066993
3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
CID 25064305
4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
CID 24864824
2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
CID 157049945
7-(3-but-2-enoxyphenyl)-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 76749660
2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
CID 25067199
[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl] N-methylcarbamate
CID 67954020
N-(2-tert-butylsulfanylprop-2-enyl)-N-methyl-4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxybut-2-yn-1-amine
CID 126514017
2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile
CID 160869031
1-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]ethylcarbamic acid
CID 123368575
7-methoxy-4-[[6-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
CID 25065754

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone?
The IUPAC name of (4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone (CID 58263825) is (4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone.
What is the SMILES notation for (4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone?
The canonical SMILES for (4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone is O=C(c1ccc(Oc2ccc3c(OCc4nnc5ccc(-c6ccccc6)nn45)ccnc3c2)cc1)c1cnccc1F.
What is the InChIKey of (4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone?
The InChIKey is FCDWGPNLYCJKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21FN6O3/c34-27-14-16-35-19-26(27)33(41)22-6-8-23(9-7-22)43-24-10-11-25-29(18-24)36-17-15-30(25)42-20-32-38-37-31-13-12-28(39-40(31)32)21-4-2-1-3-5-21/h1-19H,20H2.
What are the key properties of (4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone?
(4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone has a molecular weight of 568.57 g/mol, XLogP of 6.48, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone is sourced from PubChem (CID 58263825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).